smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC1=CC(=O)C=CC1=O	100081731	166195893	/nfs/dbraw/zinc/19/58/93/166195893.db2.gz	BMYZFVWZCNCJFG-UHFFFAOYSA-N	0	0	164.160	0.781	30	30		ACECRN
CC[C@H](C)NC(=O)CC#N	5924896	167610430	/nfs/dbraw/zinc/61/04/30/167610430.db2.gz	RUUYCRFHVMJFJC-LURJTMIESA-N	0	0	140.186	0.815	30	30		ACECRN
N#C[C@@H]1CCSC1=O	91675797	169109068	/nfs/dbraw/zinc/10/90/68/169109068.db2.gz	OZPWGHDGYYXVNI-BYPYZUCNSA-N	0	0	127.168	0.790	30	30		ACECRN
N#C[C@H]1CCSC1=O	91675803	169112512	/nfs/dbraw/zinc/11/25/12/169112512.db2.gz	OZPWGHDGYYXVNI-SCSAIBSYSA-N	0	0	127.168	0.790	30	30		ACECRN
C#CC[C@@H](C)CO	39249479	325601543	/nfs/dbraw/zinc/60/15/43/325601543.db2.gz	CUJNHYUUEHYUIY-ZCFIWIBFSA-N	0	0	98.145	0.638	30	30		ACECRN
Cc1ccc(S(N)(=O)=O)cc1C#N	482283	342939652	/nfs/dbraw/zinc/93/96/52/342939652.db2.gz	IUUQLQTXQLKIGA-UHFFFAOYSA-N	0	0	196.231	0.514	30	30		ACECRN
CC[C@@H](C)NC(=O)CC#N	5922273	351348352	/nfs/dbraw/zinc/34/83/52/351348352.db2.gz	RUUYCRFHVMJFJC-ZCFIWIBFSA-N	0	0	140.186	0.815	30	30		ACECRN
CC(C)CS(=O)(=O)CC#N	35676542	351452332	/nfs/dbraw/zinc/45/23/32/351452332.db2.gz	MQUBJMDRHBSMCN-UHFFFAOYSA-N	0	0	161.226	0.581	30	30		ACECRN
C#CC[C@H](C)CO	39249478	351498907	/nfs/dbraw/zinc/49/89/07/351498907.db2.gz	CUJNHYUUEHYUIY-LURJTMIESA-N	0	0	98.145	0.638	30	30		ACECRN
CC1(C)OC[C@@H]2C[C@@H]3O[C@@H]3[C@@H]2O1	306323988	573847083	/nfs/dbraw/zinc/84/70/83/573847083.db2.gz	NFECESYGGUGNCA-HSNKUXOKSA-N	0	0	170.208	0.925	30	30		ACECRN